N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(1-butylbenzimidazol-2-yl)methyl]-N-isopentyl-1,3-benzodioxole-5-carboxamide CAS Name: N-[(1-butyl-2-benzimidazolyl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(1-butylbenzimidazol-2-yl)methyl]-N-isoamyl-piperonylamide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C1CN(CCC(C)C)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C1CN(CCC(C)C)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H31N3O3/c1-4-5-13-28-21-9-7-6-8-20(21)26-24(28)16-27(14-12-18(2)3)25(29)19-10-11-22-23(15-19)31-17-30-22/h6-11,15,18H,4-5,12-14,16-17H2,1-3H3